SCHEMBL8206426

SCHEMBL8206426

CCc1cc(C(=O)NCc2ccc(OC)c(Cl)c2)c(N)s1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
LMNA P02545 5/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
PDE5A O76074 4/20 0.46
APEX1 P27695 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PPARA Q07869 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8210433 0.90 KMT2A (0.55) GAALMNAALOX15HSD17B10MAPT
SCHEMBL8212496 0.88 GAA (0.56) GAALMNAHPGDPDE5AAPEX1
SCHEMBL8207980 0.87 GAA (0.55) GAALMNAHPGDPDE5AAPEX1
SCHEMBL7881483 0.84 TSHR (0.47) GAALMNAALOX15HSD17B10HPGD
SCHEMBL7428203 0.80 ALDH1A1 (0.53) GAALMNAHPGDMAPTHTT
SCHEMBL8207730 0.80 ALDH1A1 (0.51) GAALMNAHPGDMAPTKMT2A
SCHEMBL8206949 0.80 LMNA (0.57) LMNAHSD17B10HPGDAPEX1KMT2A
SCHEMBL8199034 0.78 GAA (0.50) GAALMNAHPGDMAPTPDE5A
SCHEMBL8199058 0.78 THRB (0.52) GAALMNAALOX15HSD17B10MAPT
SCHEMBL8206773 0.78 CYP3A4 (0.53) GAALMNAALOX15HSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed